3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine

C26H35N3O2 — CID 134230302

IUPAC3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine
SMILESCNCCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1
InChIInChI=1S/C26H35N3O2/c1-18-22-16-20(19-10-14-29(15-11-19)13-5-12-27-2)6-8-23(22)28-26(18)21-7-9-24(30-3)25(17-21)31-4/h6-9,16-17,19,27-28H,5,10-15H2,1-4H3
InChIKeyTYLJCVXTYLPRPG-UHFFFAOYSA-N
MW421.59 g/mol
LogP4.95
Rot. Bonds8

About 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine

3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine (PubChem CID 134230302) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine
PubChem CID134230302
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine
SMILESCNCCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1
InChIInChI=1S/C26H35N3O2/c1-18-22-16-20(19-10-14-29(15-11-19)13-5-12-27-2)6-8-23(22)28-26(18)21-7-9-24(30-3)25(17-21)31-4/h6-9,16-17,19,27-28H,5,10-15H2,1-4H3
InChIKeyTYLJCVXTYLPRPG-UHFFFAOYSA-N
XLogP4.95
TPSA49.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.59
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine (CID 134230302) is 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine is CNCCCN1CCC(c2ccc3[nH]c(-c4ccc(OC)c(OC)c4)c(C)c3c2)CC1.
What is the InChIKey of 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine?
The InChIKey is TYLJCVXTYLPRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-18-22-16-20(19-10-14-29(15-11-19)13-5-12-27-2)6-8-23(22)28-26(18)21-7-9-24(30-3)25(17-21)31-4/h6-9,16-17,19,27-28H,5,10-15H2,1-4H3.
What are the key properties of 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine?
3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine has a molecular weight of 421.59 g/mol, XLogP of 4.95, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(3,4-dimethoxyphenyl)-3-methyl-1H-indol-5-yl]piperidin-1-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 134230302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).